MassBank Record: TY000224



 Kaempferitrin; LC-ESI-ITTOF; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000224
RECORD_TITLE: Kaempferitrin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.10.15, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Kaempferitrin CH$NAME: 3,7-Bis[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 3,4',5,7-Tetrahydroxyflavone 3,7-dirhamnoside CH$NAME: Kaempferol 3,7-bisrhamnoside CH$NAME: Kaempferol 3,7-di-O-rhamnoside CH$NAME: Kaempferol 3,7-di-O-alpha-L-rhamnopyranoside CH$NAME: Kaempferol 3,7-di-alpha-L-rhamnopyranoside CH$NAME: Kaempferol 3,7-di-alpha-L-rhamnoside CH$NAME: Kaempferol 3,7-dirhamnoside CH$NAME: Kaempferol 3-O-rhamnoside 7-O-rhamnoside CH$NAME: Kaempferol 3-O-alpha-L-rhamnopyranoside 7-O-alpha-L-rhamnopyranoside CH$NAME: Kaempferol-3,7-O-alpha-L-dirhamnoside CH$NAME: Lespedin CH$NAME: Lespenephryl CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C27H30O14 CH$EXACT_MASS: 578.16356 CH$SMILES: C(C1O)(C)OC(Oc(c5)cc(O2)c(c5O)C(C(OC(O4)C(C(C(C4C)O)O)O)=C(c(c3)ccc(O)c3)2)=O)C(C1O)O CH$IUPAC: InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1 CH$LINK: CAS 482-38-2
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000) AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 11.126667 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 579.164100
PK$SPLASH: splash10-003r-0020690000-b2423284ceff1e5cccb7 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 287.053900 3203971.000000 375 287.200400 70471.000000 8 288.047900 462705.000000 54 433.118600 8136681.000000 952 433.538600 153313.000000 18 433.738800 80516.000000 9 434.119100 1252568.000000 146 435.120800 168802.000000 20 579.164100 8542854.000000 999 579.395400 139260.000000 16 579.649800 184507.000000 22 579.904400 95682.000000 11 580.182100 3488556.000000 408 581.177800 749428.000000 88 582.174400 110729.000000 13 601.154000 111715.000000 13 725.224200 345128.000000 40 726.233800 110729.000000 13 727.218200 81909.000000 10 871.277000 55423.000000 6 //